2-(3,5-dimethylpyrazin-1-ium-1-yl)-1-phenyl-ethanone bromide

Systemtic Name: 2-(3,5-dimethylpyrazin-1-ium-1-yl)-1-phenyl-ethanone bromide Openeye Name: 2-(3,5-dimethylpyrazin-1-ium-1-yl)-1-phenyl-ethanone bromide CAS Name: 2-(3,5-dimethyl-1-pyrazin-1-iumyl)-1-phenylethanone bromide IUPAC Name: 2-(3,5-dimethylpyrazin-1-ium-1-yl)-1-phenylethanone bromide Traditional Name: 2-(3,5-dimethylpyrazin-1-ium-1-yl)-1-phenyl-ethanone bromide Formula: C14H15BrN2O MolecularWeight: 307.1857

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC(=N1)C)CC(=O)C2=CC=CC=C2.[Br-]

Isomeric SMILES

CC1=C[N+](=CC(=N1)C)CC(=O)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C14H15N2O.BrH/c1-11-8-16(9-12(2)15-11)10-14(17)13-6-4-3-5-7-13;/h3-9H,10H2,1-2H3;1H/q+1;/p-1